3-cyclopropyl-1-ethoxybutan-2-one

C9H16O2 — CID 115783017

IUPAC3-cyclopropyl-1-ethoxybutan-2-one
SMILESCCOCC(=O)C(C)C1CC1
InChIInChI=1S/C9H16O2/c1-3-11-6-9(10)7(2)8-4-5-8/h7-8H,3-6H2,1-2H3
InChIKeySUHADFZYGWNZBR-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.64
Rot. Bonds5

About 3-cyclopropyl-1-ethoxybutan-2-one

3-cyclopropyl-1-ethoxybutan-2-one (PubChem CID 115783017) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-cyclopropyl-1-ethoxybutan-2-one.

Molecular Properties

Compound Name3-cyclopropyl-1-ethoxybutan-2-one
PubChem CID115783017
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-cyclopropyl-1-ethoxybutan-2-one
SMILESCCOCC(=O)C(C)C1CC1
InChIInChI=1S/C9H16O2/c1-3-11-6-9(10)7(2)8-4-5-8/h7-8H,3-6H2,1-2H3
InChIKeySUHADFZYGWNZBR-UHFFFAOYSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-ethoxy-1-methoxypropan-2-one
CID 116709178
1-chloro-3-cyclopropylbutan-2-one
CID 83152122
2-cyclopropyl-6-methylheptan-3-one
CID 114966781
N-[(1R)-1-cyclopentylethyl]-2-ethoxyacetamide
CID 81389829
1-cyclopropyl-1-hydroxy-3-propoxypropan-2-one
CID 103455690
ethyl 2-cyclopentylpropanoate
CID 10654733
2-cyclopropyl-5-ethylnonan-3-one
CID 114963721
1-ethoxy-4-ethyl-3-hydroxyhexan-2-one
CID 103458441
(2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate
CID 68576140
ethyl 3-cyclopropylbutanoate
CID 47078610
1-cyclopropylethyl ethyl carbonate
CID 173016533
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-ethoxyacetamide
CID 77037057

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-ethoxybutan-2-one?
The IUPAC name of 3-cyclopropyl-1-ethoxybutan-2-one (CID 115783017) is 3-cyclopropyl-1-ethoxybutan-2-one.
What is the SMILES notation for 3-cyclopropyl-1-ethoxybutan-2-one?
The canonical SMILES for 3-cyclopropyl-1-ethoxybutan-2-one is CCOCC(=O)C(C)C1CC1.
What is the InChIKey of 3-cyclopropyl-1-ethoxybutan-2-one?
The InChIKey is SUHADFZYGWNZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-11-6-9(10)7(2)8-4-5-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-ethoxybutan-2-one?
3-cyclopropyl-1-ethoxybutan-2-one has a molecular weight of 156.22 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-ethoxybutan-2-one is sourced from PubChem (CID 115783017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).